N-[3-[[2-[(3-cyanophenyl)amino]-5-cyclopropyl-pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[[2-[(3-cyanophenyl)amino]-5-cyclopropyl-pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide Openeye Name: N-[3-[[2-(3-cyanoanilino)-5-cyclopropyl-pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide CAS Name: N-[3-[[2-(3-cyanoanilino)-5-cyclopropyl-4-pyrimidinyl]amino]propyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[2-(3-cyanoanilino)-5-cyclopropylpyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide Traditional Name: N-[3-[[2-(3-cyanoanilino)-5-cyclopropyl-pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide Formula: C22H22N6OS MolecularWeight: 418.51468

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CN=C(N=C2NCCCNC(=O)C3=CC=CS3)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CC1C2=CN=C(N=C2NCCCNC(=O)C3=CC=CS3)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H22N6OS/c23-13-15-4-1-5-17(12-15)27-22-26-14-18(16-7-8-16)20(28-22)24-9-3-10-25-21(29)19-6-2-11-30-19/h1-2,4-6,11-12,14,16H,3,7-10H2,(H,25,29)(H2,24,26,27,28)